ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline

C36H31N — CID 143813904

IUPACethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
SMILESCC.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C34H25N.C2H6/c1-3-10-26(11-4-1)27-18-22-31(23-19-27)35(30-14-5-2-6-15-30)32-24-20-29(21-25-32)34-17-9-13-28-12-7-8-16-33(28)34;1-2/h1-25H;1-2H3
InChIKeyVVULJEBGWGXJDZ-UHFFFAOYSA-N
MW477.65 g/mol
LogP10.67
Rot. Bonds5

About ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline

ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline (PubChem CID 143813904) has the molecular formula C36H31N and a molecular weight of 477.65 g/mol. Its IUPAC name is ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline.

Molecular Properties

Compound Nameethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
PubChem CID143813904
Molecular FormulaC36H31N
Molecular Weight477.65 g/mol
Exact Mass477.25
IUPAC Nameethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
SMILESCC.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C34H25N.C2H6/c1-3-10-26(11-4-1)27-18-22-31(23-19-27)35(30-14-5-2-6-15-30)32-24-20-29(21-25-32)34-17-9-13-28-12-7-8-16-33(28)34;1-2/h1-25H;1-2H3
InChIKeyVVULJEBGWGXJDZ-UHFFFAOYSA-N
XLogP10.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 161293442
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
4-(5-naphthalen-1-ylanthracen-1-yl)-N,N-diphenylaniline
CID 142716868
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline?
The IUPAC name of ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline (CID 143813904) is ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline.
What is the SMILES notation for ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline?
The canonical SMILES for ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline is CC.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline?
The InChIKey is VVULJEBGWGXJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N.C2H6/c1-3-10-26(11-4-1)27-18-22-31(23-19-27)35(30-14-5-2-6-15-30)32-24-20-29(21-25-32)34-17-9-13-28-12-7-8-16-33(28)34;1-2/h1-25H;1-2H3.
What are the key properties of ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline?
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline has a molecular weight of 477.65 g/mol, XLogP of 10.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline is sourced from PubChem (CID 143813904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).